4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine

C12H26N2 — CID 116907222

IUPAC4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine
SMILESCCC(C1CCC(NC)CC1)N(C)C
InChIInChI=1S/C12H26N2/c1-5-12(14(3)4)10-6-8-11(13-2)9-7-10/h10-13H,5-9H2,1-4H3
InChIKeyDQIYCRSZGZAJPW-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds4

About 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine

4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine (PubChem CID 116907222) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine
PubChem CID116907222
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine
SMILESCCC(C1CCC(NC)CC1)N(C)C
InChIInChI=1S/C12H26N2/c1-5-12(14(3)4)10-6-8-11(13-2)9-7-10/h10-13H,5-9H2,1-4H3
InChIKeyDQIYCRSZGZAJPW-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-cyclopropyl-N-methyl-N-propan-2-ylpropan-1-amine
CID 166781329
N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
CID 115584803
(2R)-3-cyclopropyl-N,N-dimethylpentan-2-amine
CID 170184143
2-cyclobutyl-2-(dimethylamino)ethanol
CID 116857326
1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115584811
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-(4-methylcyclohexyl)guanidine
CID 111255649
1-N,4-N-dimethyl-4-N-(1-methylsulfanylbutan-2-yl)cyclohexane-1,4-diamine
CID 114763561
(2S)-2-amino-N-[2-cyclopropyl-2-(dimethylamino)ethyl]butanamide;dihydrochloride
CID 119859211
1-N,4-N-dimethyl-4-N-(4-methylpentan-2-yl)cyclohexane-1,4-diamine
CID 79111184
1-N,4-N-dimethyl-4-N-pentan-2-ylcyclohexane-1,4-diamine
CID 79111269
4-N-heptan-4-yl-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 79123232
4-(1-iodopropyl)-N,N-dimethylcyclohexan-1-amine
CID 142071347

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine (CID 116907222) is 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine is CCC(C1CCC(NC)CC1)N(C)C.
What is the InChIKey of 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine?
The InChIKey is DQIYCRSZGZAJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-12(14(3)4)10-6-8-11(13-2)9-7-10/h10-13H,5-9H2,1-4H3.
What are the key properties of 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine?
4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)propyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 116907222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).